Tak-733
3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
Molecular Identity
Tak-733
3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID: 24963252
TAK-733 is a member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione substituted by (2R)-2,3-dihydroxypropyl, (2-fluoro-4-iodophenyl)amino, fluoro, and methyl groups at positions 3, 5, 6, and 8, respectively. It is a non-ATP competitive allosteric inhibitor of MEK1/2. It has a role as an antineoplastic agent, an anti-inflammatory agent, an apoptosis inducer and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a primary alcohol, a diol, a secondary alcohol, an organoiodine compound, a pyridopyrimidine, a substituted aniline, a secondary amino compound and a member of monofluorobenzenes.
2D Structure
Properties
C17H15F2IN4O4
Molecular Formula
504.23
Molecular Weight
g/mol
504.0106
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
772
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)CC(CO)OIsomeric SMILES
SMILES: CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)C[C@H](CO)OSynonyms(20)
TAK-7331035555-63-5TAK733TAK 733(R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione5J61HSP0QJMek inhibitor tak-733REC-48813-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione3-[(2r)-2,3-Dihydroxypropyl]-6-Fluoro-5-[(2-Fluoro-4-Iodophenyl)amino]-8-Methylpyrido[2,3-D]pyrimidine-4,7(3h,8h)-Dione(R)-3-(2,3-DIHYDROXYPROPYL)-6-FLUORO-5-(2-FLUORO-4-IODOPHENYLAMINO)-8-METHYLPYRIDO(2,3-D)PYRIMIDINE-4,7(3H,8H)-DIONE3-((2R)-2,3-dihydroxypropyl)-6-fluoro-5-((2-fluoro-4-iodophenyl)amino)-8-methylpyrido(2,3-d)pyrimidine-4,7(3H,8H)-dione3-((2R)-2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido(2,3-d)pyrimidine-4,7-dioneRefChem:187199MEK Inhibitor REC-4881
Data from PubChem (NCBI)
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